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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jun-2025	/CHCl3/PhPz/IrH2PhPzIMesPPh3_CHTS IrH2PhPzIMesPPh3_CHTS_sp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-2524.0108349; Eh
	23-Jun-2025	/CHCl3/PhPz/IrH2CHCl3PhPzIMesPPh3 IrH2CHCl3PhPzIMesPPh3_sp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-3943.4240387; Eh
	23-Jun-2025	/CHCl3/PhPz/IrH2PhPz2IMesPPh3 IrH2PhPz2IMesPPh3_sp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-2981.4557981; Eh
	23-Jun-2025	/CHCl3/PhOx/IrHH2PhOxIMesPPh3 IrHH2PhOxIMesPPh3_sp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-2545.1330191; Eh
	23-Jun-2025	/CHCl3/PhPz/IrH2PhPzIMesPPh3 IrH2PhPzIMesPPh3_sp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-2524.0479995; Eh
	23-Jun-2025	/CHCl3/PhPz PhPz_sp_CHCl3	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-457.4021477; Eh
	23-Jun-2025	/CHCl3/PhPy PhPy_sp_CHCl3	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2QZVP	-479.4944985; Eh
	23-Jun-2025	/DCM/PhPy/IrH2PhPyIMesPPh3_rotTS IrH2PhPyIMesPPh3_rotTS	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM06L	6-311G(D,P) SDD GENECP	-2545.62025577; Eh
	23-Jun-2025	/DCM/PhPy/IrH2PhPyIMesPPh3_CHTS IrH2PhPyIMesPPh3_CHTS	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RM06L	6-311G(D,P) SDD GENECP	-2545.61061980; Eh
	23-Jun-2025	/DCM/PhPy/IrHH2PhPyIMesPPh3 IrHH2PhPyIMesPPh3	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	6-311G(D,P) SDD GENECP	-2545.63560629; Eh

Results 381631-381640 of 402241 (Search time: 0.203 seconds).